Cas no 25092-07-3 (Pregna-1,4-diene-3,20-dione,9-fluoro-11,21-dihydroxy-16,17-dimethyl-, (11b,16a)- (9CI))

Pregna-1,4-diene-3,20-dione,9-fluoro-11,21-dihydroxy-16,17-dimethyl-, (11b,16a)- (9CI) structure
25092-07-3 structure
Product Name:Pregna-1,4-diene-3,20-dione,9-fluoro-11,21-dihydroxy-16,17-dimethyl-, (11b,16a)- (9CI)
CAS No:25092-07-3
MF:C23H31FO4
MW:390.48825097084
CID:259215
PubChem ID:208841
Update Time:2025-04-19

Pregna-1,4-diene-3,20-dione,9-fluoro-11,21-dihydroxy-16,17-dimethyl-, (11b,16a)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Pregna-1,4-diene-3,20-dione,9-fluoro-11,21-dihydroxy-16,17-dimethyl-, (11b,16a)- (9CI)
    • Dimesone
    • BAN
    • 9-Fluor-11beta,21-dihydroxy-16alpha,17-dimethyl-1,4-pregnadien-3,20-dion [IUPAC]
    • CHEMBL2106346
    • 9-Fluor-11beta,21-dihydroxy-16alpha,17-dimethyl-1,4-pregnadien-3,20-dion
    • UNII-B506X74MK0
    • B506X74MK0
    • Dimesonum
    • Dimesona
    • SCHEMBL1813857
    • NS00121486
    • 9.ALPHA.-FLUORO-11.BETA.,21-DIHYDROXY-16.ALPHA.,17-DIMETHYLPREGNA-1,4-DIENE-3,20-DIONE
    • Pregna-1,4-diene-3,20-dione, 9-fluoro-11,21-dihydroxy-16,17-dimethyl-, (11.beta.,16.alpha.)-
    • di-meson
    • 9alpha-Fluoro-11beta,21-dihydroxy-16alpha,17-dimethylpregna-1,4-diene-3,20-dione
    • (8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16,17-tetramethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
    • Q27274374
    • DTXSID201043249
    • DIMESONE [INN]
    • Dimesone [INN:BAN]
    • 25092-07-3
    • Inchi： 1S/C23H31FO4/c1-13-9-17-16-6-5-14-10-15(26)7-8-20(14,2)23(16,24)18(27)11-21(17,3)22(13,4)19(28)12-25/h7-8,10,13,16-18,25,27H,5-6,9,11-12H2,1-4H3/t13-,16+,17+,18+,20+,21+,22-,23+/m1/s1
    • InChI Key： FXBVINCSIJOIGL-ODTHGOCZSA-N
    • SMILES： F[C@@]12[C@]3(C=CC(C=C3CC[C@H]1[C@@H]1C[C@@H](C)[C@@](C(CO)=O)(C)[C@@]1(C)C[C@@H]2O)=O)C

Computed Properties

  • Exact Mass: 390.22100
  • Monoisotopic Mass: 390.221
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 2
  • Complexity: 802
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.7
  • Topological Polar Surface Area: 74.6?2

Experimental Properties

  • Density: 1.23
  • Boiling Point: 531.7°Cat760mmHg
  • Flash Point: 275.3°C
  • Refractive Index: 1.569
  • PSA: 74.60000
  • LogP: 3.17090

Pregna-1,4-diene-3,20-dione,9-fluoro-11,21-dihydroxy-16,17-dimethyl-, (11b,16a)- (9CI) Related Literature

  • 1. Alkylated steroids. Part 3. The 21-alkylation of 20-oxopregnanes and synthesis of a novel anti-inflammatory 16α,17α,21-trimethyl steroid (Org 6216)
    James Cairns,Robert T. Logan,George McGarry,Robert G. Roy,Donald F. M. Stevenson,Gilbert F. Woods J. Chem. Soc. Perkin Trans. 1 1981 2306

25092-07-3 (Pregna-1,4-diene-3,20-dione,9-fluoro-11,21-dihydroxy-16,17-dimethyl-, (11b,16a)- (9CI)) Related Products

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